HRID98987

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID887

Methanol

CH4O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID7666

Phenethyl bromide

C8H9Br

HCID23992385

未命名化合物

PRODUCTS

生成物

HCID259

Bromide

Br-

结构：OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCc3ccccc3)(CC1)CC2

HCID11691471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1a7a54748844192a7b4b4b8ceaa4f42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:23][CH2:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:32][C:33]#[N:34].[CH3:38][OH:39].[CH3:40][S:41]([CH3:42])=[O:43].[Cl:35][CH2:36][Cl:37].[N:1]12[CH2:2][CH2:3][C:4]([C:9]([OH:10])([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([CH2:5][CH2:6]1)[CH2:7][CH2:8]2>>[Br-:23].[N+:1]12([CH2:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[CH2:2][CH2:3][C:4]([C:9]([OH:10])([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)([CH2:5][CH2:6]1)[CH2:7][CH2:8]2